4-N-hydroxy-1-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide

C15H13N3O4 — CID 135883029

IUPAC4-N-hydroxy-1-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
SMILESO=C(NO)c1ccc(C(=O)N/N=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C15H13N3O4/c19-13-7-1-10(2-8-13)9-16-17-14(20)11-3-5-12(6-4-11)15(21)18-22/h1-9,19,22H,(H,17,20)(H,18,21)/b16-9+
InChIKeyOWYXHFMVQMGIIQ-CXUHLZMHSA-N
MW299.29 g/mol
LogP1.28
Rot. Bonds4

About 4-N-hydroxy-1-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide

4-N-hydroxy-1-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide (PubChem CID 135883029) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is 4-N-hydroxy-1-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-hydroxy-1-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
PubChem CID135883029
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name4-N-hydroxy-1-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
SMILESO=C(NO)c1ccc(C(=O)N/N=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C15H13N3O4/c19-13-7-1-10(2-8-13)9-16-17-14(20)11-3-5-12(6-4-11)15(21)18-22/h1-9,19,22H,(H,17,20)(H,18,21)/b16-9+
InChIKeyOWYXHFMVQMGIIQ-CXUHLZMHSA-N
XLogP1.28
TPSA111.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
CID 139076899
4-N-hydroxy-1-N-[(E)-[4-[4-[(E)-[[4-(hydroxycarbamoyl)benzoyl]hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]benzene-1,4-dicarboxamide
CID 135613044
4-amino-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 136742442
4-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 789070
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 136661498
N-[(E)-(4-ethylphenyl)methylideneamino]-4-hydroxybenzamide
CID 6906079
4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide
CID 603280
4-hydroxy-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 112537987
4-fluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
CID 5394348
4-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155
N-[(E)-[4-[(4-chlorophenyl)iminomethyl]phenyl]methylideneamino]-4-hydroxybenzamide
CID 71816318
4-hydroxy-N-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzamide
CID 110509442

Frequently Asked Questions

What is the IUPAC name of 4-N-hydroxy-1-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-hydroxy-1-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide (CID 135883029) is 4-N-hydroxy-1-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-hydroxy-1-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-hydroxy-1-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide is O=C(NO)c1ccc(C(=O)N/N=C/c2ccc(O)cc2)cc1.
What is the InChIKey of 4-N-hydroxy-1-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide?
The InChIKey is OWYXHFMVQMGIIQ-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H13N3O4/c19-13-7-1-10(2-8-13)9-16-17-14(20)11-3-5-12(6-4-11)15(21)18-22/h1-9,19,22H,(H,17,20)(H,18,21)/b16-9+.
What are the key properties of 4-N-hydroxy-1-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide?
4-N-hydroxy-1-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide has a molecular weight of 299.29 g/mol, XLogP of 1.28, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-hydroxy-1-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide is sourced from PubChem (CID 135883029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).